REMARK Name = BDB036435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.075 0.288 -1.067 0.00 0.00 +0.078 A ATOM 2 C LIG 1 1.211 -0.567 -1.800 0.00 0.00 +0.142 A ATOM 3 C LIG 1 -0.088 -0.164 -2.157 0.00 0.00 +0.062 A ATOM 4 C LIG 1 -0.540 1.111 -1.765 0.00 0.00 +0.068 A ATOM 5 C LIG 1 0.341 1.923 -1.072 0.00 0.00 +0.171 A ATOM 6 O LIG 1 -0.248 3.119 -0.818 0.00 0.00 -0.353 OA ATOM 7 N LIG 1 -1.529 3.121 -1.332 0.00 0.00 -0.061 NA ATOM 8 C LIG 1 -1.711 1.911 -1.875 0.00 0.00 +0.188 A ATOM 9 C LIG 1 1.635 1.567 -0.702 0.00 0.00 +0.076 A ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 3.361 -0.207 -0.725 0.00 0.00 -0.297 N ATOM 11 H LIG 1 3.546 -1.059 -1.258 0.00 0.00 +0.154 HD BRANCH 10 16 ATOM 12 C LIG 1 5.353 0.917 2.018 0.00 0.00 +0.064 A ATOM 13 N LIG 1 6.201 0.122 1.355 0.00 0.00 -0.177 NA ATOM 14 N LIG 1 5.474 -0.317 0.314 0.00 0.00 -0.264 N ATOM 15 H LIG 1 5.914 -0.944 -0.347 0.00 0.00 +0.190 HD ATOM 16 C LIG 1 4.194 0.175 0.270 0.00 0.00 +0.119 A ATOM 17 C LIG 1 4.089 0.978 1.383 0.00 0.00 +0.068 A BRANCH 12 19 ATOM 18 C LIG 1 5.514 0.759 4.510 0.00 0.00 +0.010 C ATOM 19 C LIG 1 5.780 1.601 3.272 0.00 0.00 +0.054 C ENDBRANCH 12 19 ENDBRANCH 10 16 ENDBRANCH 1 10 BRANCH 2 20 ATOM 20 O LIG 1 1.761 -1.789 -2.133 0.00 0.00 -0.493 OA ATOM 21 C LIG 1 0.895 -2.742 -2.741 0.00 0.00 +0.277 C ENDBRANCH 2 20 BRANCH 8 22 ATOM 22 N LIG 1 -2.952 1.641 -2.441 0.00 0.00 -0.196 N ATOM 23 H LIG 1 -3.628 2.395 -2.324 0.00 0.00 +0.175 HD BRANCH 22 24 ATOM 24 S LIG 1 -3.715 0.150 -2.397 0.00 0.00 +0.081 S ATOM 25 O LIG 1 -3.017 -0.708 -3.331 0.00 0.00 -0.150 OA ATOM 26 O LIG 1 -5.132 0.398 -2.580 0.00 0.00 -0.150 OA BRANCH 24 27 ATOM 27 C LIG 1 -3.506 -0.434 -0.732 0.00 0.00 +0.191 A ATOM 28 C LIG 1 -3.009 -1.717 -0.474 0.00 0.00 +0.150 A ATOM 29 C LIG 1 -2.788 -2.134 0.841 0.00 0.00 +0.048 A ATOM 30 C LIG 1 -3.110 -1.295 1.902 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -3.646 -0.030 1.653 0.00 0.00 +0.048 A ATOM 32 C LIG 1 -3.845 0.416 0.340 0.00 0.00 +0.150 A BRANCH 28 33 ATOM 33 O LIG 1 -2.652 -2.595 -1.459 0.00 0.00 -0.493 OA ATOM 34 C LIG 1 -3.745 -3.460 -1.781 0.00 0.00 +0.277 C ENDBRANCH 28 33 BRANCH 32 35 ATOM 35 O LIG 1 -4.369 1.643 0.032 0.00 0.00 -0.493 OA ATOM 36 C LIG 1 -4.498 2.596 1.082 0.00 0.00 +0.277 C ENDBRANCH 32 35 ENDBRANCH 24 27 ENDBRANCH 22 24 ENDBRANCH 8 22 TORSDOF 9